Water → HCID 178495891, compound

HRID 2139145Notes

Reaction equation

HRID 2139145 reaction equation
[CH:40]([N:41]([CH:42]([CH3:43])[CH3:44])[CH2:45][CH3:46])([CH3:47])[CH3:48].[Cl:1][c:2]1[c:3]2[c:4]([n:5][c:6]([N:8]3[CH2:9][CH2:10][N:11]([c:14]4[cH:15][cH:16][c:17]([Cl:20])[cH:18][cH:19]4)[CH2:12][CH2:13]3)[n:7]1)[CH2:21][CH2:22][S:23]2=[O:24].[Cl:25][c:26]1[cH:27][cH:28][c:29]2[c:30]([nH:31][c:32]([CH:34]([CH2:35][O:36][CH3:37])[NH2:38])[n:33]2)[cH:39]1.[Cl:56][CH2:57][Cl:58].[O:50]1[CH2:51][CH2:52][O:53][CH2:54][CH2:55]1.[OH2:49]>>[c:2]1([NH:38][CH:34]([c:32]2[nH:31][c:30]3[c:29]([cH:28][cH:27][c:26]([Cl:25])[cH:39]3)[n:33]2)[CH2:35][O:36][CH3:37])[c:3]2[c:4]([n:5][c:6]([N:8]3[CH2:9][CH2:10][N:11]([c:14]4[cH:15][cH:16][c:17]([Cl:20])[cH:18][cH:19]4)[CH2:12][CH2:13]3)[n:7]1)[CH2:21][CH2:22][S:23]2=[O:24]

Participants

7

Reactant 6

HCID 962WaterHCID 6344DichloromethaneHCID 312751,4-DioxaneHCID 81531DiisopropylethylamineHCID 594758954-Chloro-2-[4-(4-chloro-phenyl)-piperazin-1-yl]-6,7-dihydro-thieno[3,2-d]pyrimidine 5-oxideHCID 59534412HCID 59534412, compound

Product 1

HCID 178495891HCID 178495891, compound

Sources & evidence

ORD record
ord-415241109aa54d7b850808f219f45290
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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