Water → HCID 66758593, compound

HRID 2338487Notes

Reaction equation

HRID 2338487 reaction equation
[Br:19][CH2:20][CH2:21][CH:22]=[C:23]1[c:24]2[c:25]([cH:34][cH:35][c:36]([C:38]([CH3:39])([CH3:40])[OH:41])[cH:37]2)[O:26][CH2:27][c:28]2[c:29]1[cH:30][cH:31][cH:32][n:33]2.[C:43](#[N:44])[CH3:45].[Cl:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[CH:9]([CH2:14][C:15](=[O:16])[O:17][CH3:18])[CH2:10][NH:11][CH2:12][CH2:13]2)[cH:6][cH:7]1.[OH2:42]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[CH:9]([CH2:14][C:15](=[O:16])[O:17][CH3:18])[CH2:10][N:11]([CH2:20][CH2:21][CH:22]=[C:23]3[c:24]4[c:25]([cH:34][cH:35][c:36]([C:38]([CH3:39])([CH3:40])[OH:41])[cH:37]4)[O:26][CH2:27][c:28]4[c:29]3[cH:30][cH:31][cH:32][n:33]4)[CH2:12][CH2:13]2)[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 962WaterHCID 6342AcetonitrileHCID 23137063HCID 23137063, compoundHCID 666859992-[5-(3-Bromo-propylidene)-5,1 1-dihydro-10-oxa-1-aza-dibenzo[a,d]cyclohepten-7-yl]-propan-2-ol

Product 1

HCID 66758593HCID 66758593, compound

Sources & evidence

ORD record
ord-373c25bef57f4d98b2c692ba8fa6f4c7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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