Thiourea → 4-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]-N-[2-methyl-4-(morpholine-4-carbonyl)phenyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carbothioamide

HRID 103151Notes

Reaction equation

HRID 103151 reaction equation
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][N:8]([c:9]2[n:10][cH:11][c:12](-[c:15]3[c:16]4[c:17]([n:18][c:19]([N:21]5[CH2:22][CH2:23][O:24][CH2:25][CH2:26]5)[n:20]3)[NH:27][CH2:28][CH2:29]4)[cH:13][n:14]2)[CH2:30][c:31]2[cH:32][cH:33][c:34]([O:37][CH3:38])[cH:35][cH:36]2)[cH:39][cH:40]1.[NH2:41][c:42]1[c:43]([CH3:56])[cH:44][c:45]([C:48](=[O:49])[N:50]2[CH2:51][CH2:52][O:53][CH2:54][CH2:55]2)[cH:46][cH:47]1.[NH2:57][C:58]([NH2:59])=[S:60]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][N:8]([c:9]2[n:10][cH:11][c:12](-[c:15]3[c:16]4[c:17]([n:18][c:19]([N:21]5[CH2:22][CH2:23][O:24][CH2:25][CH2:26]5)[n:20]3)[N:27]([C:58]([NH:41][c:42]3[c:43]([CH3:56])[cH:44][c:45]([C:48](=[O:49])[N:50]5[CH2:51][CH2:52][O:53][CH2:54][CH2:55]5)[cH:46][cH:47]3)=[S:60])[CH2:28][CH2:29]4)[cH:13][n:14]2)[CH2:30][c:31]2[cH:32][cH:33][c:34]([O:37][CH3:38])[cH:35][cH:36]2)[cH:39][cH:40]1

Participants

4

Reactant 3

HCID 2723790ThioureaHCID 167774932-Methyl-4-(morpholine-4-carbonyl)anilineHCID 45258862Bis-(4-methoxybenzyl)-[5-(2-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-yl]-amine

Product 1

HCID 873822694-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]-N-[2-methyl-4-(morpholine-4-carbonyl)phenyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carbothioamide

Sources & evidence

ORD record
ord-15158aebe8b740f2bcd792fd901bad3e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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