Thiophosgene → 4-(2-Amino-pyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydro-pyrrolo[2,3-d]pyrimidine-7-carbothioic acid [4-(4-methyl-piperazine-1-carbonyl)-phenyl]-amide
Reaction equation
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][N:8]([CH2:9][c:10]2[cH:11][cH:12][c:13]([O:14][CH3:15])[cH:16][cH:17]2)[c:18]2[n:19][cH:20][c:21](-[c:22]3[c:23]4[c:27]([n:28][c:29]([N:30]5[CH2:31][CH2:32][O:33][CH2:34][CH2:35]5)[n:36]3)[NH:26][CH2:25][CH2:24]4)[cH:37][n:38]2)[cH:39][cH:40]1.[CH3:61][N:62]1[CH2:63][CH2:64][N:65]([C:68](=[O:69])[c:70]2[cH:71][cH:72][c:73]([NH:76][C:77](=[S:78])[N:79]3[CH2:80][CH2:81][c:82]4[c:83]3[n:84][c:85]([N:113]3[CH2:114][CH2:115][O:116][CH2:117][CH2:118]3)[n:86][c:87]4-[c:88]3[cH:89][n:90][c:91]([N:94]([CH2:95][c:96]4[cH:97][cH:98][c:99]([O:100][CH3:101])[cH:102][cH:103]4)[CH2:104][c:105]4[cH:106][cH:107][c:108]([O:109][CH3:110])[cH:111][cH:112]4)[n:92][cH:93]3)[cH:74][cH:75]2)[CH2:66][CH2:67]1.[Cl:57][C:58](=[S:59])[Cl:60].[NH2:41][c:42]1[cH:43][cH:44][c:45]([C:46]([N:47]2[CH2:48][CH2:49][N:50]([CH3:51])[CH2:52][CH2:53]2)=[O:54])[cH:55][cH:56]1>>[CH3:61][N:62]1[CH2:63][CH2:64][N:65]([C:68](=[O:69])[c:70]2[cH:71][cH:72][c:73]([NH:76][C:77](=[S:78])[N:79]3[CH2:80][CH2:81][c:82]4[c:83]3[n:84][c:85]([N:113]3[CH2:114][CH2:115][O:116][CH2:117][CH2:118]3)[n:86][c:87]4-[c:88]3[cH:89][n:90][c:91]([NH2:94])[n:92][cH:93]3)[cH:74][cH:75]2)[CH2:66][CH2:67]1Participants
5
Reactant 4
HCID 10040Thiophosgene
HCID 231408(4-Aminophenyl)(4-methylpiperazin-1-yl)methanone
HCID 45258862Bis-(4-methoxybenzyl)-[5-(2-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-yl]-amine
HCID 1405471724-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carbothioamideProduct 1
Sources & evidence
- ORD record
- ord-3f1a771427b94884926aa840e15af51e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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