Water → HCID 178481867, compound

HRID 197942Notes

Reaction equation

HRID 197942 reaction equation
[CH:34]([N:35]([CH:36]([CH3:37])[CH3:38])[CH2:39][CH3:40])([CH3:41])[CH3:42].[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].[NH2:25][CH2:26][c:27]1[cH:28][c:29]([OH:33])[n:30]([CH3:32])[n:31]1.[O:44]1[CH2:45][CH2:46][O:47][CH2:48][CH2:49]1.[OH2:43]>>[c:2]1([NH:25][CH2:26][c:27]2[cH:28][c:29]([OH:33])[n:30]([CH3:32])[n:31]2)[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

6

Reactant 5

HCID 962WaterHCID 312751,4-DioxaneHCID 81531DiisopropylethylamineHCID 594758954-Chloro-2-[4-(4-chloro-phenyl)-piperazin-1-yl]-6,7-dihydro-thieno[3,2-d]pyrimidine 5-oxideHCID 178481868HCID 178481868, compound

Product 1

HCID 178481867HCID 178481867, compound

Sources & evidence

ORD record
ord-bc7eaa3ddd014f06b6d5f4a303266acb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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