Water → HCID 178522669, compound

HRID 118149Notes

Reaction equation

HRID 118149 reaction equation
[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[CH3:50][N:51]([CH3:52])[c:53]1[cH:54][cH:55][n:56][cH:57][cH:58]1.[Cl:47][CH2:48][Cl:49].[NH2:29][c:30]1[n:31][n:32][n:33][nH:34]1.[O:42]1[CH2:43][CH2:44][CH2:45][CH2:46]1.[OH2:28].[S:24]([Cl:25])([Cl:26])=[O:27].[c:1]1(-[c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[cH:2][cH:3][c:4]([O:7][CH2:8][c:9]2[cH:10][c:11]([C:12](=[O:13])[OH:14])[cH:15][cH:16][cH:17]2)[cH:5][cH:6]1.[cH:59]1[cH:60][cH:61][n:62][cH:63][cH:64]1>>[c:1]1(-[c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[cH:2][cH:3][c:4]([O:7][CH2:8][c:9]2[cH:10][c:11]([C:12](=[O:13])[NH:29][c:30]3[n:31][n:32][n:33][nH:34]3)[cH:15][cH:16][cH:17]2)[cH:5][cH:6]1

Participants

10

Reactant 9

HCID 962WaterHCID 1049PyridineHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 142844-(Dimethylamino)pyridineHCID 24386Thionyl ChlorideHCID 18707489HCID 18707489, compoundHCID 178509299HCID 178509299, compound

Product 1

HCID 178522669HCID 178522669, compound

Sources & evidence

ORD record
ord-ea87eb86acf942f0841aae868aa5f413
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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