Hydrochloric Acid → HCID 22480290, compound

HRID 678059Notes

Reaction equation

HRID 678059 reaction equation
[C:1]([CH3:2])(=[O:3])[O:4][CH:5]([C:6](=[O:7])[OH:8])[c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1.[CH3:16][N:17]([CH3:18])[CH2:19][CH2:20][CH2:21][N:22]=[C:23]=[N:24][CH2:25][CH3:26].[Cl:73][CH2:74][Cl:75].[ClH:15].[O:27]1[CH:28]([n:33]2[n:34][c:35](-[c:66]3[cH:67][c:68]([NH2:72])[cH:69][cH:70][cH:71]3)[c:36]3[cH:37][c:38](-[c:42]4[n:43][n:44]([C:47]([c:48]5[cH:49][cH:50][cH:51][cH:52][cH:53]5)([c:54]5[cH:55][cH:56][cH:57][cH:58][cH:59]5)[c:60]5[cH:61][cH:62][cH:63][cH:64][cH:65]5)[cH:45][n:46]4)[cH:39][cH:40][c:41]23)[CH2:29][CH2:30][CH2:31][CH2:32]1>>[C:1]([CH3:2])(=[O:3])[O:4][CH:5]([C:6](=[O:8])[NH:72][c:68]1[cH:67][c:66](-[c:35]2[n:34][n:33]([CH:28]3[O:27][CH2:32][CH2:31][CH2:30][CH2:29]3)[c:41]3[c:36]2[cH:37][c:38](-[c:42]2[n:43][n:44]([C:47]([c:48]4[cH:49][cH:50][cH:51][cH:52][cH:53]4)([c:54]4[cH:55][cH:56][cH:57][cH:58][cH:59]4)[c:60]4[cH:61][cH:62][cH:63][cH:64][cH:65]4)[cH:45][n:46]2)[cH:39][cH:40]3)[cH:71][cH:70][cH:69]1)[c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 225215O-Acetylmandelic acidHCID 211011823-(1-perhydro-2H-pyran-2-yl-5-[1-(triphenylmethyl)(1,2,4-triazol-3-yl)]-1H-indazol-3-yl}phenylamine

Product 1

HCID 22480290HCID 22480290, compound

Sources & evidence

ORD record
ord-39d1c63f6ba1431483297c21083d8d3e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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