Dichloromethane → HCID 18442461, compound

HRID 2334866Notes

Reaction equation

HRID 2334866 reaction equation
[B-:56]([F:57])([F:58])([F:59])[F:60].[C:33]([CH3:34])([CH3:35])([CH3:36])[O:37][C:38](=[O:39])[CH:40]([c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1)[NH2:47].[Cl:78][CH2:79][Cl:80].[O:1]=[S:2]1(=[O:32])[CH2:3][C:4]([CH2:26][CH3:27])([CH2:28][CH2:29][CH2:30][CH3:31])[CH2:5][N:6]([c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[c:7]2[c:8]1[cH:9][c:10]([O:14][CH2:15][CH2:16][C:17](=[O:18])[OH:19])[c:11]([Br:13])[cH:12]2.[n:48]1[c:49]([CH3:50])[cH:51][cH:52][cH:53][c:54]1[CH3:55].[n:61]1([O:62][C:63]([N:64]([CH3:65])[CH3:66])=[N+:67]([CH3:68])[CH3:69])[c:70]2[cH:71][cH:72][cH:73][cH:74][c:75]2[n:76][n:77]1>>[O:1]=[S:2]1(=[O:32])[CH2:3][C:4]([CH2:26][CH3:27])([CH2:28][CH2:29][CH2:30][CH3:31])[CH2:5][N:6]([c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[c:7]2[c:8]1[cH:9][c:10]([O:14][CH2:15][CH2:16][C:17](=[O:18])[NH:47][CH:40]([C:38]([O:37][C:33]([CH3:34])([CH3:35])[CH3:36])=[O:39])[c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1)[c:11]([Br:13])[cH:12]2

Participants

7

Reactant 6

HCID 6344DichloromethaneHCID 79372,6-LutidineHCID 26255TetrafluoroborateHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 12162441HCID 12162441, compoundHCID 223931131,1-Dioxo-3-butyl-3-ethyl-5-phenyl-7-bromo-8-(2-carboxyethoxy)-2,3,4,5-tetrahydro-1,5-benzothiazepine

Product 1

HCID 18442461HCID 18442461, compound

Sources & evidence

ORD record
ord-43c486c42d034b0c8dd43c4e2752d22c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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