Water → HCID 178498568, 화합물

HRID 138913

반응식

HRID 138913 반응식
[CH:35]([N:36]([CH:37]([CH3:38])[CH3:39])[CH2:40][CH3:41])([CH3:42])[CH3:43].[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:51][CH2:52][Cl:53].[O:45]1[CH2:46][CH2:47][O:48][CH2:49][CH2:50]1.[OH2:44].[OH:25][CH:26]1[CH2:27][CH:28]([C:31](=[O:32])[O:33][CH3:34])[NH:29][CH2:30]1>>[c:2]1([N:29]2[CH:28]([C:31](=[O:32])[O:33][CH3:34])[CH2:27][CH:26]([OH:25])[CH2:30]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]

참가 물질

7

반응물 6

HCID 962WaterHCID 6344DichloromethaneHCID 312751,4-DioxaneHCID 81531DiisopropylethylamineHCID 549381Methyl 4-hydroxypyrrolidine-2-carboxylateHCID 594758954-Chloro-2-[4-(4-chloro-phenyl)-piperazin-1-yl]-6,7-dihydro-thieno[3,2-d]pyrimidine 5-oxide

생성물 1

HCID 178498568HCID 178498568, 화합물

출처 및 근거

ORD 기록
ord-c85e6990658f4b60b36dcb74c48910ff
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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