Water → HCID 66974295, compound

HRID 306590Notes

Reaction equation

HRID 306590 reaction equation
[CH:31]([N:32]([CH:33]([CH3:34])[CH3:35])[CH2:36][CH3:37])([CH3:38])[CH3:39].[Cl:1][c:2]1[cH:3][c:4]2[cH:5][c:6]([C:18]3=[N:22][CH:21]([CH2:23][CH2:24][N:25]4[CH2:26][CH2:27][NH:28][CH2:29][CH2:30]4)[CH2:20][S:19]3)[nH:7][c:8]2[c:9]([NH:11][CH:12]2[CH2:13][CH2:14][O:15][CH2:16][CH2:17]2)[cH:10]1.[Cl:56][CH2:57][Cl:58].[O:40]=[C:41]1[CH2:42][CH2:43][C:44](=[O:45])[N:46]1[O:47][C:48]([CH2:49][C:50]([F:51])([F:52])[F:53])=[O:54].[OH2:55]>>[Cl:1][c:2]1[cH:3][c:4]2[cH:5][c:6]([C:18]3=[N:22][CH:21]([CH2:23][CH2:24][N:25]4[CH2:26][CH2:27][N:28]([C:48](=[O:47])[CH2:49][C:50]([F:51])([F:52])[F:53])[CH2:29][CH2:30]4)[CH2:20][S:19]3)[nH:7][c:8]2[c:9]([NH:11][CH:12]2[CH2:13][CH2:14][O:15][CH2:16][CH2:17]2)[cH:10]1

Participants

6

Reactant 5

HCID 962WaterHCID 6344DichloromethaneHCID 81531DiisopropylethylamineHCID 56777211HCID 56777211, compoundHCID 66974133HCID 66974133, compound

Product 1

HCID 66974295HCID 66974295, compound

Sources & evidence

ORD record
ord-9ea18394cd7042ee919daf04b754b2ef
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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