Water → HCID 178519317, compound

HRID 685471Notes

Reaction equation

HRID 685471 reaction equation
[CH:59]([N:60]([CH:61]([CH3:62])[CH3:63])[CH2:64][CH3:65])([CH3:66])[CH3:67].[Cl:68][CH2:69][Cl:70].[F:21][C:22]([c:23]1[cH:24][c:25]2[c:26]([C:43](=[O:44])[OH:45])[cH:27][c:28](-[c:33]3[cH:34][cH:35][c:36]([C:39]([F:40])([F:41])[F:42])[cH:37][cH:38]3)[n:29][c:30]2[cH:31][cH:32]1)([F:46])[F:47].[N:1]1([CH:15]2[CH2:16][CH2:17][NH:18][CH2:19][CH2:20]2)[CH2:2][CH:3]([C:7](=[O:8])[N:9]2[CH2:10][CH2:11][O:12][CH2:13][CH2:14]2)[CH2:4][CH2:5][CH2:6]1.[OH2:48].[OH:49][n:50]1[c:51]2[cH:52][cH:53][cH:54][cH:55][c:56]2[n:57][n:58]1>>[N:1]1([CH:15]2[CH2:16][CH2:17][N:18]([C:43]([c:26]3[c:25]4[cH:24][c:23]([C:22]([F:21])([F:46])[F:47])[cH:32][cH:31][c:30]4[n:29][c:28](-[c:33]4[cH:34][cH:35][c:36]([C:39]([F:40])([F:41])[F:42])[cH:37][cH:38]4)[cH:27]3)=[O:44])[CH2:19][CH2:20]2)[CH2:2][CH:3]([C:7](=[O:8])[N:9]2[CH2:10][CH2:11][O:12][CH2:13][CH2:14]2)[CH2:4][CH2:5][CH2:6]1

Participants

7

Reactant 6

HCID 962WaterHCID 6344DichloromethaneHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 5183222HCID 5183222, compoundHCID 22263098HCID 22263098, compound

Product 1

HCID 178519317HCID 178519317, compound

Sources & evidence

ORD record
ord-23811c1db5bf441583044d1e90c80414
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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