Benzenemethanamine, 3-chloro- → HCID 178452331, compound

HRID 1541513Notes

Reaction equation

HRID 1541513 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([CH2:14][CH2:15][NH:16][c:17]2[n:18][cH:19][c:20]3[c:21]([n:22]2)[nH:23][n:24][c:25]3-[c:26]2[n:27][c:28]([S:32]([CH3:33])(=[O:34])=[O:35])[n:29][cH:30][cH:31]2)[CH2:12][CH2:13]1.[Cl:36][c:37]1[cH:38][c:39]([CH2:40][NH2:41])[cH:42][cH:43][cH:44]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([CH2:14][CH2:15][NH:16][c:17]2[n:18][cH:19][c:20]3[c:21]([n:22]2)[nH:23][n:24][c:25]3-[c:26]2[n:27][c:28]([NH:41][CH2:40][c:39]3[cH:38][c:37]([Cl:36])[cH:44][cH:43][cH:42]3)[n:29][cH:30][cH:31]2)[CH2:12][CH2:13]1

Participants

3

Reactant 2

HCID 77802Benzenemethanamine, 3-chloro-HCID 178452332HCID 178452332, compound

Product 1

HCID 178452331HCID 178452331, compound

Sources & evidence

ORD record
ord-7bda600d76e546a2a954d5376edee1d3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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